SCHEMBL7562855

SCHEMBL7562855

CC(CC(=O)O)C(O)CO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.39
MAPT P10636 1/20 0.38
GABRR1 P24046 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
OR51E2 Q9H255 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MME P08473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13573121 0.84 SLC22A6 (0.48) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL11365175 0.80 SLC22A6 (0.43) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL23581574 0.80 SLC22A6 (0.43) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL5077944 0.78 SLC22A6 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL304303 0.78 SLC22A6 (0.50) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL2988034 0.76 GPR84 (0.45) SLC22A6SMN1; SMN2MAPTGABRR1LMNA
SCHEMBL3401580 0.76 GPR84 (0.41) SLC22A6SMN1; SMN2MAPT
SCHEMBL19331126 0.76 SLC22A6 (0.50) SLC22A6SMN1; SMN2PDE4AMAPTGABRR1
SCHEMBL11409855 0.76
SCHEMBL705762 0.76 SLC22A6 (0.50) SLC22A6SMN1; SMN2PDE4AMAPTGABRR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321300-A1 PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION COMPRISING MAGNETIC NANOPARTICLES AXAGARIUS GmbH & Co. KG (DE) 2018-05-16 EP claimed
EP-3321300-A1 PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION COMPRISING MAGNETIC NANOPARTICLES AXAGARIUS GmbH & Co. KG (DE) 2018-05-16 EP disclosed
EP-1229012-A1 PROCESS FOR PREPARING BETA-KETOESTER ACETAL CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2002-08-07 EP disclosed